5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one

C11H13Cl2N3O — CID 64667801

IUPAC5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(Cl)cc2Cl)CCC1=O
InChIInChI=1S/C11H13Cl2N3O/c1-16-6-8(2-3-10(16)17)15-11-9(13)4-7(12)5-14-11/h4-5,8H,2-3,6H2,1H3,(H,14,15)
InChIKeyZOQKHUACNBOUFU-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.42
Rot. Bonds2

About 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one

5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one (PubChem CID 64667801) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
PubChem CID64667801
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(Cl)cc2Cl)CCC1=O
InChIInChI=1S/C11H13Cl2N3O/c1-16-6-8(2-3-10(16)17)15-11-9(13)4-7(12)5-14-11/h4-5,8H,2-3,6H2,1H3,(H,14,15)
InChIKeyZOQKHUACNBOUFU-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one (CID 64667801) is 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncc(Cl)cc2Cl)CCC1=O.
What is the InChIKey of 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The InChIKey is ZOQKHUACNBOUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-16-6-8(2-3-10(16)17)15-11-9(13)4-7(12)5-14-11/h4-5,8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one has a molecular weight of 274.15 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64667801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).